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S-PHENYLTHIO-3,3-DIMETHYL-5-PHENYLPENT-4-YNOATE

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S-PHENYLTHIO-3,3-DIMETHYL-5-PHENYLPENT-4-YNOATE
SpectraBase Compound ID 1kHT1Ux5N7D
InChI InChI=1S/C19H18OS/c1-19(2,14-13-16-9-5-3-6-10-16)15-18(20)21-17-11-7-4-8-12-17/h3-12H,15H2,1-2H3
InChIKey NTULMVDLWONQQE-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C19H18OS
Exact Mass 294.107836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fo1rWSXwaTH
Name S-PHENYLTHIO-3,3-DIMETHYL-5-PHENYLPENT-4-YNOATE
Compound Number 6EE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18OS
InChI InChI=1S/C19H18OS/c1-19(2,14-13-16-9-5-3-6-10-16)15-18(20)21-17-11-7-4-8-12-17/h3-12H,15H2,1-2H3
InChIKey NTULMVDLWONQQE-UHFFFAOYSA-N
Literature Reference Author I.MATSUDA,K.I.KOMORI,K.ITOH
Literature Reference Citation J.AM.CHEM.SOC.,124,9072(2002)
Literature Reference DOI 10.1021/ja0264089
Molecular Weight 294.411 g/mol
Sample ID 34074
Solvent CDCl3